| CAS Number | 620957-95-1 |
| Catalog Number | AG00EKAO(AGN-PC-03Y33P) |
| Chemical Name | Ethyl 4-chloro-6-methyl-2-quinazolinecarboxylate |
| IUPAC Name | ethyl 4-chloro-6-methylquinazoline-2-carboxylate |
| InChI | InChI=1S/C12H11ClN2O2/c1-3-17-12(16)11-14-9-5-4-7(2)6-8(9)10(13)15-11/h4-6H,3H2,1-2H3 |
| InChI Key | NZKXQPUEYVPGPX-UHFFFAOYSA-N |
| MDL Number | MFCD12026444 |
| Molecular Formula | C12H11ClN2O2 |
| Molecular Weight | 250.6809 |
| SMILES | CCOC(=O)c1nc(Cl)c2c(n1)ccc(c2)C |
| Synonyms | Ethyl 4-chloro-6-methyl-2-quinazolinecarboxylate,
620957-95-1,
4-chloro-2-ethoxycarbonyl-6-methylquinazoline,
SCHEMBL3287907,
DTXSID70630196,
NZKXQPUEYVPGPX-UHFFFAOYSA-N,
MFCD12026444,
ZINC36075753,
OR309394,
DB-073051,
FT-0705052,
T6585,
Ethyl 4-chloro-6-methylquinazoline-2-carboxylate,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.682g/mol |
| Monoisotopic Mass | 250.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number